Dy2YAs3
Alexandria ALEXAlex-ID: agm033368016 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_367_spg8
DyY3As4 Dy3YAs4
2024-12-04 19:03:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033368016).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm033368016
data_agm033368016
_cell_length_a 9.21060
_cell_length_b 9.21060
_cell_length_c 8.24122
_cell_angle_alpha 77.07294
_cell_angle_beta 102.92706
_cell_angle_gamma 154.14952
_cell_volume 296.70578
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.16672 0.83328 0.33321 1.00000
Dy3 Dy 0.83328 0.16672 0.66679 1.00000
Dy4 Dy 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.16663 0.83337 0.83320 1.00000
Y2 Y 0.83337 0.16663 0.16680 1.00000
As1 As 0.66664 0.33336 0.58273 1.00000
As2 As 0.33348 0.66652 0.91639 1.00000
As3 As 0.33336 0.66664 0.41727 1.00000
As4 As 0.00018 0.99982 0.25012 1.00000
As5 As 0.99982 0.00018 0.74988 1.00000
As6 As 0.66652 0.33348 0.08361 1.00000
获取直接链接